28 May
2010
28 May
'10
11:24 a.m.
Dear Modellers,
I am trying to model a really large structure with a lot of chains (180 to be more exact - this is a complete virus capside) and I am encountering problems with the PDB format used in the automodel class. I manage to convince it to read a PDB file with 4 false chains (corresponding each to 45 "real" chains). However, the script finds out 180 chains internally (so much for fooling it...), writes them to the *.INI file with bogus chain IDs (and bogus residue and atom numbers) that it cannot read again when trying to produce the models. How to solve this? Can I change the automodel class to read mmCIF instead of PDB?
Thanks in advance,
Cláudio M. Soares
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Claudio M. Soares
Instituto de Tecnologia Química e Biológica
Universidade Nova de Lisboa
Av. da República – EAN,
2780-157 Oeiras
PORTUGAL
Phone:(351)214469610/214469100
Fax :(351)214411277
email:claudio@itqb.unl.pt
http://www.itqb.unl.pt/~claudio
Skype: claudio.m.soares